1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine

C57H47N11O4 — CID 136628319

About 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine

1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine (PubChem CID 136628319) has the molecular formula C57H47N11O4 and a molecular weight of 950.08 g/mol. Its IUPAC name is 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine.

Molecular Properties

• Compound Name: 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
• PubChem CID: 136628319
• Molecular Formula: C57H47N11O4
• Molecular Weight: 950.08 g/mol
• Exact Mass: 949.38
• IUPAC Name: 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
• SMILES: NN([C@H](COc1cnc(-c2ccoc2)c(-c2ccc3[nH]nc(-c4cn[nH]c4)c3c2)c1)Cc1ccccc1)[C@H](COc1cnc(-c2ccoc2)c(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1)Cc1ccccc1
• InChI: InChI=1S/C57H47N11O4/c58-68(43(22-36-8-3-1-4-9-36)34-71-45-26-47(54(60-30-45)40-17-20-69-32-40)38-13-15-51-49(24-38)56(66-64-51)42-28-62-63-29-42)44(23-37-10-5-2-6-11-37)35-72-46-27-48(55(61-31-46)41-18-21-70-33-41)39-14-16-52-50(25-39)57(67-65-52)53-12-7-19-59-53/h1-21,24-33,43-44,59H,22-23,34-35,58H2,(H,62,63)(H,64,66)(H,65,67)/t43-,44-/m0/s1
• InChIKey: GEQKMCDMPRZSOT-CXNSMIOJSA-N
• XLogP: 11.32
• TPSA: 201.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	950.08
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine?

The IUPAC name of 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine (CID 136628319) is 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine.

What is the SMILES notation for 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine?

The canonical SMILES for 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine is NN([C@H](COc1cnc(-c2ccoc2)c(-c2ccc3[nH]nc(-c4cn[nH]c4)c3c2)c1)Cc1ccccc1)[C@H](COc1cnc(-c2ccoc2)c(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1)Cc1ccccc1.

What is the InChIKey of 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine?

The InChIKey is GEQKMCDMPRZSOT-CXNSMIOJSA-N. The full InChI is InChI=1S/C57H47N11O4/c58-68(43(22-36-8-3-1-4-9-36)34-71-45-26-47(54(60-30-45)40-17-20-69-32-40)38-13-15-51-49(24-38)56(66-64-51)42-28-62-63-29-42)44(23-37-10-5-2-6-11-37)35-72-46-27-48(55(61-31-46)41-18-21-70-33-41)39-14-16-52-50(25-39)57(67-65-52)53-12-7-19-59-53/h1-21,24-33,43-44,59H,22-23,34-35,58H2,(H,62,63)(H,64,66)(H,65,67)/t43-,44-/m0/s1.

What are the key properties of 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine?

1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine has a molecular weight of 950.08 g/mol, XLogP of 11.32, 18 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine is sourced from PubChem (CID 136628319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).